REMARK Name = BDB022477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.086 -2.552 0.148 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -1.811 -1.956 0.138 0.00 0.00 +0.013 A ATOM 3 C LIG 1 -0.653 -2.685 -0.190 0.00 0.00 -0.018 A ATOM 4 C LIG 1 -0.798 -4.042 -0.515 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -2.055 -4.648 -0.516 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -3.190 -3.909 -0.187 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 0.671 -2.041 -0.194 0.00 0.00 -0.018 A ATOM 8 C LIG 1 1.503 -2.102 -1.320 0.00 0.00 +0.010 A ATOM 9 C LIG 1 2.760 -1.485 -1.323 0.00 0.00 +0.024 A ATOM 10 C LIG 1 3.218 -0.790 -0.199 0.00 0.00 +0.034 A ATOM 11 C LIG 1 2.401 -0.728 0.928 0.00 0.00 +0.024 A ATOM 12 C LIG 1 1.142 -1.345 0.929 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 N LIG 1 4.496 -0.201 -0.280 0.00 0.00 -0.282 N ATOM 14 H LIG 1 4.983 -0.326 -1.157 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 5.121 0.574 0.670 0.00 0.00 +0.241 C ATOM 16 O LIG 1 4.668 0.966 1.738 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 6.484 1.025 0.272 0.00 0.00 +0.064 C ATOM 18 C LIG 1 7.382 0.234 -0.337 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 8.799 0.537 -0.753 0.00 0.00 +0.111 C BRANCH 19 20 ATOM 20 N LIG 1 9.396 1.848 -0.545 0.00 0.00 -0.305 NA ATOM 21 C LIG 1 8.802 2.927 -1.317 0.00 0.00 +0.104 C ATOM 22 C LIG 1 9.640 2.195 0.846 0.00 0.00 +0.104 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 24 ATOM 23 C LIG 1 -5.081 -2.335 1.687 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -4.309 -1.712 0.520 0.00 0.00 +0.102 C BRANCH 24 25 ATOM 25 C LIG 1 -5.258 -1.476 -0.662 0.00 0.00 +0.225 C ATOM 26 N LIG 1 -6.058 -0.374 -0.742 0.00 0.00 -0.268 N ATOM 27 H LIG 1 -6.629 -0.368 -1.575 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 -5.377 -2.297 -1.582 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 -6.199 0.706 0.099 0.00 0.00 +0.154 A ATOM 30 C LIG 1 -7.093 1.792 -0.157 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -6.932 2.656 0.919 0.00 0.00 +0.068 A ATOM 32 C LIG 1 -7.636 3.857 1.053 0.00 0.00 +0.028 A ATOM 33 C LIG 1 -8.541 4.179 0.037 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -8.727 3.335 -1.057 0.00 0.00 +0.001 A ATOM 35 N LIG 1 -5.995 2.058 1.714 0.00 0.00 -0.275 N ATOM 36 H LIG 1 -5.622 2.401 2.592 0.00 0.00 +0.189 HD ATOM 37 C LIG 1 -8.011 2.137 -1.170 0.00 0.00 +0.013 A ATOM 38 N LIG 1 -5.541 0.886 1.246 0.00 0.00 -0.157 NA ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 1 24 TORSDOF 8